Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
SLC (Dec 2015)
Download :
Data.csv
|
3D Models
Tab legend :
Full name of ligand selected in the comparative docking column:
General color information :
Quality: [
Good
|
Correct
| Uncertain ]
Query
Structural Alignment (SA)
3D Modeling
Annotation
Ligands from PDB templates
Predicted Complexes
- pKd:[
‹nMol
|
‹μMol
|
‹mMol
]
Query Sequence
Filter:
Significants
SA found
Seq Ident.
3D Core
(QMean Score)
Classification code
Uniprot
Pfam
Prosite
Smart
Cath
ECNumber
Binding Site
Ligands Found
(Procognate)
Profile
Complexes by comparative docking
(ligands from PDB templates)
ALL
ASP - [nb=131] --> ASPARTIC ACID
CDL - [nb=22] --> CARDIOLIPIN
TB1 - [nb=21] --> .....ENZYLOXY)-L-ASPARTIC ACID
42F - [nb=6] --> ......2.1]octane-2-carboxylate
42J - [nb=5] --> .....dichlorophenyl)ethanamine
BOG - [nb=5] --> SUGAR (B-OCTYLGLUCOSIDE)
B40 - [nb=5] --> .....yl-1-phenylpropan-2-amine
41U - [nb=5] --> nisoxetine
21B - [nb=4] --> NORTRIPTYLINE
42L - [nb=4] --> ......2.1]octane-2-carboxylate
41X - [nb=4] --> .....(phenyl)methyl]morpholine
LDP - [nb=4] --> L-DOPAMINE
ATP - [nb=4] --> ADENOSINE-5'-TRIPHOSPHATE
CM5 - [nb=3] --> .....1-PENTYL-BETA-D-MALTOSIDE
COC - [nb=3] --> COCAINE
N9S - [nb=3] --> .....osyl-beta-D-glucopyranose
1WE - [nb=3] --> .....S)-1-phenylpropan-2-amine
APC - [nb=2] --> .....HONIC ACID ADENOSYL ESTER
NAG - [nb=2] --> N-ACETYL-D-GLUCOSAMINE
MAL - [nb=2] --> MALTOSE
6BG - [nb=1] --> .....EOXY-BETA-D-GLUCOPYRANOSE
OLC - [nb=1] --> .....pyl (9Z)-octadec-9-enoate
37X - [nb=1] --> ..... Glucose Neopentyl Glycol
DMU - [nb=1] --> .....YL-BETA-D-MALTOPYRANOSIDE
Y01 - [nb=1] --> CHOLESTEROL HEMISUCCINATE
Targets
for screening
Sort by entries
[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number]
1
S52A3_HUMAN
0
18%
0.145
-
5 -
(0)
?
- / - / -
0
2
NTCP7_HUMAN
1
45%
0.355
PF00005
11 -
(0)
?
- / - / -
0
3
S52A1_HUMAN
1
33%
0.462
PF00014
0 -
(0)
?
- / - / -
0
4
SL9C1_HUMAN
16
38%
0.397
PF00027
13 -
(0)
?
- / - / -
0
5
S39AC_HUMAN
0
35%
0.292
PF00061
6 -
(0)
?
- / - / -
0
6
SC5A3_HUMAN
8
38%
0.356
PF00067
3 -
(0)
?
- / - / -
0
7
S35F5_HUMAN
0
29%
0.209
PF00069
0 -
(0)
?
- / - / -
0
8
S43A3_HUMAN
10
52%
0.252
PF00069
7 -
(0)
?
- / - / -
0
9
S22AV_HUMAN
6
31%
0.201
PF00083
14 -
(0)
?
- / - / -
0
10
GTR6_HUMAN
15
35%
0.390
PF00083
12 -
(0)
?
- / - / -
0
11
GTR11_HUMAN
17
43%
0.383
PF00083
15 -
(0)
?
- / - / -
0
12
S22AK_HUMAN
8
41%
0.267
PF00083
8 -
(0)
?
- / - / -
0
13
S22A2_HUMAN
12
36%
0.286
PF00083
12 -
(0)
?
- / - / -
0
14
S22A9_HUMAN
7
43%
0.319
PF00083
12 -
(0)
?
- / - / -
0
15
S22AA_HUMAN
3
36%
0.342
PF00083
15 -
(0)
?
- / - / -
0
16
S22AP_HUMAN
10
50%
0.273
PF00083
8 -
(0)
?
- / - / -
0
17
GTR2_HUMAN
18
52%
0.446
PF00083
C1_S1
15 -
(0)
1
- / - /
1
0
18
GTR9_HUMAN
16
38%
0.398
PF00083
C3_S1
13 -
(0)
2
- / - /
1
0
19
GTR14_HUMAN
19
94%
0.402
PF00083
15 -
(0)
2
- / - / -
0
20
GTR4_HUMAN
18
64%
0.412
PF00083
15 -
(0)
2
- / - / -
0
21
S22A8_HUMAN
8
43%
0.333
PF00083
12 -
(2)
?
- / - / -
0
22
GTR1_HUMAN
20
99%
0.411
PF00083
C1_S1
13 -
(0)
2
- / - /
1
0
23
GTR3_HUMAN
19
99%
0.444
PF00083
15 -
(0)
2
- / - / -
0
24
S22A7_HUMAN
6
56%
0.245
PF00083
15 -
(0)
?
- / - / -
0
25
S22AB_HUMAN
5
43%
0.309
PF00083
12 -
(0)
?
- / - / -
0
26
GTR5_HUMAN
17
54%
0.349
PF00083
15 -
(0)
?
- / - / -
0
27
S22AG_HUMAN
7
36%
0.252
PF00083
11 -
(0)
?
- / - / -
0
28
S22A6_HUMAN
6
43%
0.297
PF00083
15 -
(0)
?
- / - / -
0
29
S22A3_HUMAN
6
52%
0.248
PF00083
12 -
(0)
?
- / - / -
0
30
GTR7_HUMAN
19
43%
0.377
PF00083
15 -
(0)
?
- / - / -
0
31
S22A1_HUMAN
4
27%
0.304
PF00083
12 -
(0)
?
- / - / -
0
32
S22AC_HUMAN
6
35%
0.317
PF00083
10 -
(0)
?
- / - / -
0
33
S22AH_HUMAN
7
41%
0.243
PF00083
11 -
(0)
?
- / - / -
0
34
MYCT_HUMAN
18
43%
0.320
PF00083
16 -
(0)
?
- / - / -
0
35
GTR10_HUMAN
18
33%
0.348
PF00083
C2_S1
12 -
(0)
?
- / - /
1
0
36
S39AD_HUMAN
0
33%
-0.002
PF00106
12 -
(0)
?
- / - / -
0
37
S35E4_HUMAN
0
48%
0.057
PF00106
4 -
(4)
?
- / - / -
0
38
SL9P1_HUMAN
3
37%
0.167
PF00107
0 -
(0)
?
- / - / -
0
39
S4A8_HUMAN
15
58%
0.452
PF00115
4 -
(0)
?
- / - / -
0
40
SLC31_HUMAN
20
38%
0.381
PF00128
34 -
(0)
?
- / - / -
0
41
4F2_HUMAN
15
100%
0.613
PF00128
12 -
(0)
?
- / - / -
0
42
S39A3_HUMAN
0
59%
0.075
PF00144
5 -
(0)
?
- / - / -
0
43
DIC_HUMAN
7
41%
0.256
PF00153
20 -
(0)
?
- / - / -
0
44
MCATL_HUMAN
11
38%
0.111
PF00153
19 -
(0)
?
- / - / -
0
45
MPCP_HUMAN
6
30%
0.246
PF00153
23 -
(0)
1
- / - / -
0
46
PM34_HUMAN
7
36%
0.285
PF00153
21 -
(0)
?
- / - / -
0
47
S2533_HUMAN
6
36%
0.168
PF00153
24 -
(0)
?
- / - / -
0
48
GDC_HUMAN
11
30%
0.134
PF00153
C5_S1
16 -
(0)
1
- / - /
2
0
49
TPC_HUMAN
12
41%
0.176
PF00153
19 -
(0)
?
- / - / -
0
50
UCP1_HUMAN
13
58%
0.018
PF00153
23 -
(0)
1
- / - / -
0
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